Ba3Ce2CdAs6
Alexandria ALEXAlex-ID: agm004635007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ba3(CdAs2)2 Ba3As4 CeAs
2022-06-26 07:32:46.407232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635007).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004635007
data_agm004635007
_cell_length_a 7.58987
_cell_length_b 7.58987
_cell_length_c 7.85144
_cell_angle_alpha 99.22453
_cell_angle_beta 99.22453
_cell_angle_gamma 119.55198
_cell_volume 372.96846
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1 Ba 0.16253 0.83747 0.50000 1.00000
Ba2 Ba 0.83747 0.16253 0.50000 1.00000
Ba3 Ba 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.33153 0.66847 0.00000 1.00000
Ce2 Ce 0.66847 0.33153 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
As1 As 0.92964 0.58899 0.79008 1.00000
As2 As 0.72554 0.72554 0.20872 1.00000
As3 As 0.07036 0.41101 0.20992 1.00000
As4 As 0.58899 0.92964 0.79008 1.00000
As5 As 0.27446 0.27446 0.79128 1.00000
As6 As 0.41101 0.07036 0.20992 1.00000
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